2-[1-(2-methylpropyl)piperidin-2-yl]ethan-1-amine

• ChemBase ID: 307140
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: N1(CC(C)C)C(CCN)CCCC1
• Canonical SMILES: NCCC1CCCCN1CC(C)C
• InChI: InChI=1S/C11H24N2/c1-10(2)9-13-8-4-3-5-11(13)6-7-12/h10-11H,3-9,12H2,1-2H3
• InChIKey: FQDBLXOMWPGHEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(2-methylpropyl)piperidin-2-yl]ethan-1-amine
• IUPAC Traditional name: 2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
• Synonyms: 2-(1-isobutylpiperidin-2-yl)ethanamine

Database IDs

• CAS Number: 938459-02-0
• MDL Number: MFCD09055295

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.433654
• LogD (pH = 7.4): -2.5615945
• Log P: 1.6075817
• Molar Refractivity: 58.3597 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 29.26 Å^2